2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole

C17H24N4OS — CID 118743819

IUPAC2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCCOCC1CN(Cc2nccs2)Cc2nn(CC3CC3)cc21
InChIInChI=1S/C17H24N4OS/c1-2-22-12-14-8-20(11-17-18-5-6-23-17)10-16-15(14)9-21(19-16)7-13-3-4-13/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3
InChIKeyHTFIETMEYZCZTA-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.89
Rot. Bonds7

About 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole

2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole (PubChem CID 118743819) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
PubChem CID118743819
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
SMILESCCOCC1CN(Cc2nccs2)Cc2nn(CC3CC3)cc21
InChIInChI=1S/C17H24N4OS/c1-2-22-12-14-8-20(11-17-18-5-6-23-17)10-16-15(14)9-21(19-16)7-13-3-4-13/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3
InChIKeyHTFIETMEYZCZTA-UHFFFAOYSA-N
XLogP2.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole (CID 118743819) is 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole is CCOCC1CN(Cc2nccs2)Cc2nn(CC3CC3)cc21.
What is the InChIKey of 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
The InChIKey is HTFIETMEYZCZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-22-12-14-8-20(11-17-18-5-6-23-17)10-16-15(14)9-21(19-16)7-13-3-4-13/h5-6,9,13-14H,2-4,7-8,10-12H2,1H3.
What are the key properties of 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole?
2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethyl)-4-(ethoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118743819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).